BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	80.1 % (883 of 1103)	82.0 % (464 of 566)	76.4 % (334 of 437)	85.0 % (85 of 100)
Backbone	83.6 % (483 of 578)	81.8 % (162 of 198)	84.6 % (241 of 285)	84.2 % (80 of 95)
Sidechain	77.6 % (478 of 616)	82.1 % (302 of 368)	70.4 % (171 of 243)	100.0 % (5 of 5)
Aromatic	30.0 % (33 of 110)	60.0 % (33 of 55)	0.0 % (0 of 55)
Methyl	96.2 % (102 of 106)	96.2 % (51 of 53)	96.2 % (51 of 53)

1. entity

MGHHHHHHHH HHSSGHIEGR HMLLTVYCVR RDLSEVTFSL QVDADFELHN FRALCELESG IPAAESQIVY AERPLTDNHR SLASYGLKDG DVVILRQ

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	100 mM
3	entity	[U-13C; U-15N]	0.4 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.19 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 40 models in PDB: 2N7D, Strand ID: A Detail

Release date

2016-07-12

Citation

Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog
Siva, M., Svoboda, M., Veverka, V., Trempe, J.F., Hofmann, K., Kozisek, M., Hexnerova, R., Sedlak, F., Belza, J., Brynda, J., Sacha, P., Hubalek, M., Starkova, J., Flaisigova, I., Konvalinka, J., Saskova, K.G.
Sci. Rep. (2016), 6, 30443-30443, PubMed 27461074 , DOI 10.1038/srep30443 , Abstract

Experiments performed 7 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25801_2n7d.nef
Input source #2: Coordindates	2n7d.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

80-------90-------100-------110-------120-------130-------140-------150-------160-------170------
MGHHHHHHHHHHSSGHIEGRHMLLTVYCVRRDLSEVTFSLQVDADFELHNFRALCELESGIPAAESQIVYAERPLTDNHRSLASYGLKDGDVVILRQ
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHHHHHSSGHIEGRHMLLTVYCVRRDLSEVTFSLQVDADFELHNFRALCELESGIPAAESQIVYAERPLTDNHRSLASYGLKDGDVVILRQ
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	97	0	0	100.0

Content subtype: combined_25801_2n7d.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	886		84.5 (chain: A, length: 97)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1549 (1)	noe	80.4 (chain: A, length: 97)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	42 (1)	hbond	32.0 (chain: A, length: 97)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	132 (132)	.	80.4 (chain: A, length: 97)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 84.5%
- Total number of assignments
  - ¹³C chemical shifts: 332
  - ¹H chemical shifts: 471
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	437	332	76.0
¹H chemical shifts	566	471	83.2
¹⁵N chemical shifts	107	83	77.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	194	160	82.5
¹H chemical shifts	198	163	82.3
¹⁵N chemical shifts	95	78	82.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	243	172	70.8
¹H chemical shifts	368	308	83.7
¹⁵N chemical shifts	12	5	41.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	55	53	96.4
¹H chemical shifts	55	54	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	55	0	0.0
¹H chemical shifts	55	33	60.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 80.4%
- Total number of restraints: 1549
- Weight of restraints: 1.0 (1549)
- Potential type of restraints: square-well-parabolic (1549)
- Range of distance target values: 1.41, 2.75 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 32.0%
  - Total number of restraints: 42
  - Weight of restraints: 1.0 (42)
  - Potential type of restraints: square-well-parabolic (42)
  - Range of distance target values: 1.0, 1.5 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 80.4%
- Total number of restraints: 132
- Total number of restraints per polymer type: 132
- Weight of restraints: 1.0 (132)
- Potential type of restraints: square-well-parabolic (132)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DDI2

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BMRB: 25801

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Experiments performed 7 experiments Detail

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NMR combined restraints 5 contents Detail